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Böhm, Michael C., Ramírez, Rafael, Schulte, Joachim (2007) On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene: A Feynman path integral – ab initio investigation. Chemical Physics, 342. 1-15 doi:10.1016/j.chemphys.2007.09.008

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Reference TypeJournal (article/letter/editorial)
TitleOn the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene: A Feynman path integral – ab initio investigation
JournalChemical Physics
AuthorsBöhm, Michael C.Author
Ramírez, RafaelAuthor
Schulte, JoachimAuthor
Year2007 (December)Volume342
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.09.008Search in ResearchGate
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Mindat Ref. ID5961343Long-form Identifiermindat:1:5:5961343:5
GUID0
Full ReferenceBöhm, Michael C., Ramírez, Rafael, Schulte, Joachim (2007) On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene: A Feynman path integral – ab initio investigation. Chemical Physics, 342. 1-15 doi:10.1016/j.chemphys.2007.09.008
Plain TextBöhm, Michael C., Ramírez, Rafael, Schulte, Joachim (2007) On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene: A Feynman path integral – ab initio investigation. Chemical Physics, 342. 1-15 doi:10.1016/j.chemphys.2007.09.008
In(n.d.) Chemical Physics Vol. 342. Elsevier BV

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Schulte, Joachim, Ramírez, Rafael, Böhm, Michael C. (2006) Influence of nuclear fluctuations on the NMR parameters of bullvalene: A Feynman path integral – Ab initio study. Chemical Physics Letters, 432. 579-584 doi:10.1016/j.cplett.2006.10.083
Ramírez, Rafael, Schulte, Joachim, Böhm, Michael C. (2005) Feynman path integral – ab initio study of the isotropic hyperfine coupling constants of the muonium substituted ethyl radical CH2MuCH2. Chemical Physics Letters, 402. 346-351 doi:10.1016/j.cplett.2004.12.053
Schulte, Joachim, Ramı́rez, Rafael, Böhm, Michael C. (2000) Feynman path integral–ab initio investigation of the excited state properties of C2H4. Chemical Physics Letters, 322. 527-535 doi:10.1016/s0009-2614(00)00466-8
Böhm, Michael C., Schulte, Joachim, Ramírez, Rafael (2002) Excited State Properties of C6H6and C6D6Studied by Feynman Path Integral−ab Initio Simulations. The Journal of Physical Chemistry A, 106 (13). 3169-3180 doi:10.1021/jp013483h
RAMÍREZ, RAFAEL, SCHULTE, JOACHIM, BÖHM, MICHAEL C. (2001) Ground state and excited state properties of ethylene isomers studied by a combined Feynman path integral-ab initio approach. Molecular Physics, 99. 1249-1273 doi:10.1080/00268970110051686
Böhm, Michael C, Schulte, Joachim, Ramı́rez, Rafael (2000) Nuclear quantum effects in calculated NMR shieldings of ethylene; a Feynman path integral – ab initio study. Chemical Physics Letters, 332. 117-124 doi:10.1016/s0009-2614(00)01232-x
Böhm, Michael C., Ramı́rez, Rafael, Schulte, Joachim (1998) Electrons and nuclei of C6H6 and C6D6; a combined Feynman path integral – ab initio approach. Chemical Physics, 227. 271-300 doi:10.1016/s0301-0104(97)00309-1
SCHULTE, JOACHIM, RAMÍREZ, RAFAEL, BÖHM, MICHAEL C. (2001) Nuclear quantum effects in calculated NMR shieldings of benzene; a Feynman path integral study. Molecular Physics, 99. 1155-1158 doi:10.1080/00268970110043048
Böhm, Michael C, Schulte, Joachim, Hernández, Eduardo, Ramı́rez, Rafael (2001) Electrons and nuclei of ethylene isomers; a Feynman path integral – ab initio study. Chemical Physics, 264. 371-400 doi:10.1016/s0301-0104(01)00244-0
Ramı́rez, Rafael, Hernández, Eduardo, Schulte, Joachim, Böhm, Michael C (1998) Nuclear quantum effects in the electronic structure of C2H4: a combined Feynman path integral–ab initio approach. Chemical Physics Letters, 291. 44-50 doi:10.1016/s0009-2614(98)00545-4
Schulte, Joachim, Böhm, Michael C., López-Ciudad, Telesforo, Ramı́rez, Rafael (2004) Nuclear degrees of freedom in calculated isotropic hyperfine coupling constants of the ethyl radical: a Feynman path integral – ab initio study. Chemical Physics Letters, 389. 367-372 doi:10.1016/j.cplett.2004.03.097
 
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